21411-42-7

Name 2,4,6-TRIMETHYLBENZYL MERCAPTAN
CAS 21411-42-7
Molecular Formula C10H14S
MDL Number MFCD00173911
Molecular Weight 166.28
MOL File 21411-42-7.mol
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Chemical Properties

Melting point  46-48 °C(lit.)
Boiling point  120 °C5 mm Hg(lit.)
density  0.9952 (estimate)
refractive index  1.5512 (estimate)
Fp  >230 °F
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Low-Melting Solid
pka 9.86±0.10(Predicted)
color  White to Off-White
Stability: Air Sensitive
InChI 1S/C10H14S/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5,11H,6H2,1-3H3
InChIKey LJZYEPXPMRRXTA-UHFFFAOYSA-N
SMILES Cc1cc(C)c(CS)c(C)c1
CAS DataBase Reference 21411-42-7(CAS DataBase Reference)

Safety Data

Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
HazardClass  6.1
Storage Class 13 - Non Combustible Solids

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